CID 151731025

2206360-84-9

Structural Information

Molecular Formula
C16H22Cl2N2O4
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N(CC(CCl)O)CC(CCl)O
InChI
InChI=1S/C16H22Cl2N2O4/c17-7-14(21)9-19(10-15(22)8-18)12-1-3-13(4-2-12)20-5-6-24-11-16(20)23/h1-4,14-15,21-22H,5-11H2
InChIKey
RKOASLBCYJZDDI-UHFFFAOYSA-N
Compound name
4-[4-[bis(3-chloro-2-hydroxypropyl)amino]phenyl]morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

376.09567 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10295 183.2
[M+Na]+ 399.08489 186.7
[M-H]- 375.08839 186.0
[M+NH4]+ 394.12949 192.4
[M+K]+ 415.05883 183.3
[M+H-H2O]+ 359.09293 176.0
[M+HCOO]- 421.09387 188.5
[M+CH3COO]- 435.10952 214.7
[M+Na-2H]- 397.07034 182.3
[M]+ 376.09512 184.9
[M]- 376.09622 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe